N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide

C15H21N3O2S — CID 49431740

IUPACN-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNc1cc(C)nc2ccccc12
InChIInChI=1S/C15H21N3O2S/c1-3-21(19,20)17-10-6-9-16-15-11-12(2)18-14-8-5-4-7-13(14)15/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyUDQKPJWXFKDXPD-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.28
Rot. Bonds7

About N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide

N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide (PubChem CID 49431740) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
PubChem CID49431740
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNc1cc(C)nc2ccccc12
InChIInChI=1S/C15H21N3O2S/c1-3-21(19,20)17-10-6-9-16-15-11-12(2)18-14-8-5-4-7-13(14)15/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyUDQKPJWXFKDXPD-UHFFFAOYSA-N
XLogP2.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
CID 71996177
N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
CID 106333831

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide?
The IUPAC name of N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide (CID 49431740) is N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide?
The canonical SMILES for N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide is CCS(=O)(=O)NCCCNc1cc(C)nc2ccccc12.
What is the InChIKey of N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide?
The InChIKey is UDQKPJWXFKDXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-21(19,20)17-10-6-9-16-15-11-12(2)18-14-8-5-4-7-13(14)15/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide?
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide is sourced from PubChem (CID 49431740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).